CID 66050421

1-(bromomethyl)-1-ethylcyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
CCC1(CCCCC1)CBr
InChI
InChI=1S/C9H17Br/c1-2-9(8-10)6-4-3-5-7-9/h2-8H2,1H3
InChIKey
AVSQBPUGRVOQMJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-ethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 141.5
[M+Na]+ 227.04058 143.5
[M+NH4]+ 222.08518 148.8
[M+K]+ 243.01452 140.8
[M-H]- 203.04408 142.8
[M+Na-2H]- 225.02603 145.5
[M]+ 204.05081 141.1
[M]- 204.05191 141.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.